4-[3-(hydroxymethyl)-5-naphthalen-1-ylpyrazol-1-yl]benzenesulfonamide

C20H17N3O3S — CID 71578726

IUPAC4-[3-(hydroxymethyl)-5-naphthalen-1-ylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C20H17N3O3S/c21-27(25,26)17-10-8-16(9-11-17)23-20(12-15(13-24)22-23)19-7-3-5-14-4-1-2-6-18(14)19/h1-12,24H,13H2,(H2,21,25,26)
InChIKeyKSOJBPIIYODYPK-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.83
Rot. Bonds4

About 4-[3-(hydroxymethyl)-5-naphthalen-1-ylpyrazol-1-yl]benzenesulfonamide

4-[3-(hydroxymethyl)-5-naphthalen-1-ylpyrazol-1-yl]benzenesulfonamide (PubChem CID 71578726) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)-5-naphthalen-1-ylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)-5-naphthalen-1-ylpyrazol-1-yl]benzenesulfonamide
PubChem CID71578726
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name4-[3-(hydroxymethyl)-5-naphthalen-1-ylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C20H17N3O3S/c21-27(25,26)17-10-8-16(9-11-17)23-20(12-15(13-24)22-23)19-7-3-5-14-4-1-2-6-18(14)19/h1-12,24H,13H2,(H2,21,25,26)
InChIKeyKSOJBPIIYODYPK-UHFFFAOYSA-N
XLogP2.83
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)-5-naphthalen-1-ylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(hydroxymethyl)-5-naphthalen-1-ylpyrazol-1-yl]benzenesulfonamide (CID 71578726) is 4-[3-(hydroxymethyl)-5-naphthalen-1-ylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(hydroxymethyl)-5-naphthalen-1-ylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(hydroxymethyl)-5-naphthalen-1-ylpyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2cccc3ccccc23)cc1.
What is the InChIKey of 4-[3-(hydroxymethyl)-5-naphthalen-1-ylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is KSOJBPIIYODYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c21-27(25,26)17-10-8-16(9-11-17)23-20(12-15(13-24)22-23)19-7-3-5-14-4-1-2-6-18(14)19/h1-12,24H,13H2,(H2,21,25,26).
What are the key properties of 4-[3-(hydroxymethyl)-5-naphthalen-1-ylpyrazol-1-yl]benzenesulfonamide?
4-[3-(hydroxymethyl)-5-naphthalen-1-ylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 379.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)-5-naphthalen-1-ylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 71578726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).